ethyl 1-ethylsulfonylcyclopent-3-ene-1-carboxylate

C10H16O4S — CID 89484455

IUPACethyl 1-ethylsulfonylcyclopent-3-ene-1-carboxylate
SMILESCCOC(=O)C1(S(=O)(=O)CC)CC=CC1
InChIInChI=1S/C10H16O4S/c1-3-14-9(11)10(7-5-6-8-10)15(12,13)4-2/h5-6H,3-4,7-8H2,1-2H3
InChIKeyLCPSBAYMQSIREF-UHFFFAOYSA-N
MW232.30 g/mol
LogP1.07
Rot. Bonds4

About ethyl 1-ethylsulfonylcyclopent-3-ene-1-carboxylate

ethyl 1-ethylsulfonylcyclopent-3-ene-1-carboxylate (PubChem CID 89484455) has the molecular formula C10H16O4S and a molecular weight of 232.30 g/mol. Its IUPAC name is ethyl 1-ethylsulfonylcyclopent-3-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethylsulfonylcyclopent-3-ene-1-carboxylate
PubChem CID89484455
Molecular FormulaC10H16O4S
Molecular Weight232.30 g/mol
Exact Mass232.08
IUPAC Nameethyl 1-ethylsulfonylcyclopent-3-ene-1-carboxylate
SMILESCCOC(=O)C1(S(=O)(=O)CC)CC=CC1
InChIInChI=1S/C10H16O4S/c1-3-14-9(11)10(7-5-6-8-10)15(12,13)4-2/h5-6H,3-4,7-8H2,1-2H3
InChIKeyLCPSBAYMQSIREF-UHFFFAOYSA-N
XLogP1.07
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethylsulfonylcyclopent-3-ene-1-carboxylate?
The IUPAC name of ethyl 1-ethylsulfonylcyclopent-3-ene-1-carboxylate (CID 89484455) is ethyl 1-ethylsulfonylcyclopent-3-ene-1-carboxylate.
What is the SMILES notation for ethyl 1-ethylsulfonylcyclopent-3-ene-1-carboxylate?
The canonical SMILES for ethyl 1-ethylsulfonylcyclopent-3-ene-1-carboxylate is CCOC(=O)C1(S(=O)(=O)CC)CC=CC1.
What is the InChIKey of ethyl 1-ethylsulfonylcyclopent-3-ene-1-carboxylate?
The InChIKey is LCPSBAYMQSIREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4S/c1-3-14-9(11)10(7-5-6-8-10)15(12,13)4-2/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of ethyl 1-ethylsulfonylcyclopent-3-ene-1-carboxylate?
ethyl 1-ethylsulfonylcyclopent-3-ene-1-carboxylate has a molecular weight of 232.30 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethylsulfonylcyclopent-3-ene-1-carboxylate is sourced from PubChem (CID 89484455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).